SIMILAR PATTERNS OF AMINO ACIDS FOR 3FRB_X_TOPX300_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a5l UREASE (ALPHA
SUBUNIT)

(Klebsiella
aerogenes) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 ASP C 431
LEU C 429
VAL C 421
PHE C 491
THR C 152
 None
 1.09A 3frbX-1a5lC:
undetectable		 3frbX-1a5lC:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bev BOVINE ENTEROVIRUS
COAT PROTEINS VP1 TO
VP4

(Enterovirus E) 		PF00073
(Rhv) 		5 LEU 3 165
LEU 3  53
LEU 3  84
VAL 3 194
ILE 3  69
 None
 1.06A 3frbX-1bev3:
undetectable		 3frbX-1bev3:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c0a ASPARTYL TRNA
SYNTHETASE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 ALA A 396
LEU A 299
VAL A 295
SER A 366
ILE A 352
 AMP  A 800 (-4.1A)
None
None
None
None
 1.12A 3frbX-1c0aA:
undetectable		 3frbX-1c0aA:
15.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		6 ALA A   9
LEU A  22
SER A  59
ILE A  60
TYR A 121
THR A 136
 HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
NAP  A 191 ( 4.1A)
None
None
HBI  A 198 ( 4.5A)
 0.85A 3frbX-1dr6A:
20.2		 3frbX-1dr6A:
28.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jio CYTOCHROME P450
107A1

(Saccharopolyspora
erythraea) 		PF00067
(p450) 		5 LEU A 199
ALA A 235
VAL A 159
SER A 171
PHE A 195
 None
None
None
DEB  A 420 ( 4.8A)
None
 1.08A 3frbX-1jioA:
undetectable		 3frbX-1jioA:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jlk RESPONSE REGULATOR
RCP1

(Synechocystis
sp. PCC 6803) 		PF00072
(Response_reg) 		5 LEU A  71
ALA A  45
LEU A  12
VAL A  14
ILE A  83
 None
 0.97A 3frbX-1jlkA:
undetectable		 3frbX-1jlkA:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m66 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Leishmania
mexicana) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 LEU A 151
LEU A  30
VAL A  33
ILE A  88
THR A 166
 None
 1.00A 3frbX-1m66A:
undetectable		 3frbX-1m66A:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mqt POLYPROTEIN CAPSID
PROTEIN

(Enterovirus B) 		PF00073
(Rhv) 		5 LEU B 221
ALA B 152
VAL B 243
SER B  87
PHE B  82
 None
 1.12A 3frbX-1mqtB:
undetectable		 3frbX-1mqtB:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n8y PROTOONCOPROTEIN

(Rattus
norvegicus) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		5 LEU C 424
ALA C 445
LEU C 440
LEU C 437
ILE C 385
 None
 1.06A 3frbX-1n8yC:
undetectable		 3frbX-1n8yC:
13.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o1y CONSERVED
HYPOTHETICAL PROTEIN
TM1158

(Thermotoga
maritima) 		PF00117
(GATase) 		5 LEU A 221
LEU A  85
VAL A 168
ILE A 174
PHE A 125
 None
 1.11A 3frbX-1o1yA:
undetectable		 3frbX-1o1yA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pyt PROCARBOXYPEPTIDASE
A

(Bos taurus) 		PF02244
(Propep_M14) 		6 LEU A  61
ALA A  63
LEU A  29
LEU A  35
VAL A  56
ILE A  15
 None
 1.45A 3frbX-1pytA:
undetectable		 3frbX-1pytA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rrv GLYCOSYLTRANSFERASE
GTFD

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		5 ASP A 199
LEU A 202
VAL A 201
ILE A 346
THR A 385
 ASP  A 199 ( 0.5A)
LEU  A 202 ( 0.6A)
VAL  A 201 ( 0.6A)
ILE  A 346 ( 0.7A)
THR  A 385 ( 0.8A)
 1.11A 3frbX-1rrvA:
undetectable		 3frbX-1rrvA:
16.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1th8 ANTI-SIGMA F FACTOR
ANTAGONIST

(Geobacillus
stearothermophilus) 		PF01740
(STAS) 		5 LEU B  14
LEU B  18
LEU B  30
VAL B  34
ILE B  64
 None
 0.98A 3frbX-1th8B:
undetectable		 3frbX-1th8B:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u0o VON WILLEBRAND
FACTOR

(Mus musculus) 		PF00092
(VWA) 		5 LEU C 634
VAL C 648
SER C 658
ILE C 662
TYR C 558
 None
 1.11A 3frbX-1u0oC:
undetectable		 3frbX-1u0oC:
18.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		5 ALA A   9
SER A  59
ILE A  60
TYR A 121
THR A 136
 NDP  A 188 (-3.6A)
NDP  A 188 ( 3.8A)
MTX  A 187 ( 4.2A)
None
MTX  A 187 (-4.4A)
 0.81A 3frbX-1u70A:
20.1		 3frbX-1u70A:
31.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		5 ALA A   9
SER A  59
ILE A  60
TYR A 121
THR A 136
 MXA  A 187 (-3.6A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
None
MXA  A 187 (-4.3A)
 0.84A 3frbX-1u71A:
20.6		 3frbX-1u71A:
28.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xfc ALANINE RACEMASE

(Mycobacterium
tuberculosis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 LEU A 117
ALA A 163
LEU A 166
VAL A 130
THR A 127
 None
 1.06A 3frbX-1xfcA:
undetectable		 3frbX-1xfcA:
16.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		5 ALA A   7
LEU A  20
ASP A  27
ILE A  50
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
None
 0.69A 3frbX-1zdrA:
26.1		 3frbX-1zdrA:
48.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		5 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
None
 0.53A 3frbX-1zdrA:
26.1		 3frbX-1zdrA:
48.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ztv HYPOTHETICAL PROTEIN

(Enterococcus
faecalis) 		PF01904
(DUF72) 		5 LEU A 133
ALA A 104
SER A  70
ILE A  69
PHE A 130
 None
 1.05A 3frbX-1ztvA:
undetectable		 3frbX-1ztvA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ALA A  15
LEU A  45
ASP A  53
SER A 120
ILE A 121
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
None
CP7  A1240 (-4.1A)
 0.80A 3frbX-2blbA:
19.7		 3frbX-2blbA:
28.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2boa CARBOXYPEPTIDASE A4

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 LEU A  61
ALA A  63
LEU A  35
VAL A  56
ILE A  15
 None
 1.09A 3frbX-2boaA:
undetectable		 3frbX-2boaA:
18.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cir HEXOSE-6-PHOSPHATE
MUTAROTASE

(Saccharomyces
cerevisiae) 		PF01263
(Aldose_epim) 		5 LEU A 274
LEU A 126
VAL A 143
PHE A 154
THR A 146
 None
 1.09A 3frbX-2cirA:
undetectable		 3frbX-2cirA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d4e 5-CARBOXYMETHYL-2-HY
DROXYMUCONATE
SEMIALDEHYDE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00171
(Aldedh) 		5 LEU A  92
LEU A 217
VAL A 221
ILE A 183
THR A  83
 None
 1.08A 3frbX-2d4eA:
2.0		 3frbX-2d4eA:
16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 ALA A 143
LEU A  79
VAL A  80
SER A 117
PHE A 125
 None
 1.05A 3frbX-2ecfA:
undetectable		 3frbX-2ecfA:
12.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g5x RIBOSOME-INACTIVATIN
G PROTEIN

(Silene
chalcedonica) 		PF00161
(RIP) 		5 LEU A  20
ALA A 169
LEU A  61
VAL A  48
PHE A  16
 None
 1.11A 3frbX-2g5xA:
undetectable		 3frbX-2g5xA:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gj4 GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM

(Oryctolagus
cuniculus) 		PF00343
(Phosphorylase) 		5 LEU A 474
ALA A 447
LEU A 430
LEU A 411
VAL A 414
 None
None
None
SO4  A 948 (-3.9A)
None
 1.07A 3frbX-2gj4A:
undetectable		 3frbX-2gj4A:
12.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  28
ASP A  48
SER A  83
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
NAP  A 523 ( 4.4A)
None
None
 0.72A 3frbX-2h2qA:
19.2		 3frbX-2h2qA:
15.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  28
SER A  83
ILE A  84
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
NAP  A 523 ( 4.4A)
None
None
None
 0.92A 3frbX-2h2qA:
19.2		 3frbX-2h2qA:
15.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jik SYNAPTOJANIN-2
BINDING PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A  88
LEU A  23
LEU A  94
VAL A  68
ILE A  27
 None
 1.12A 3frbX-2jikA:
undetectable		 3frbX-2jikA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lf8 TRANSCRIPTION FACTOR
ETV6

(Mus musculus) 		PF00178
(Ets) 		5 LEU A 394
LEU A 337
VAL A 341
ILE A 402
PHE A 415
 None
 1.09A 3frbX-2lf8A:
undetectable		 3frbX-2lf8A:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  11
LEU A  25
ASP A  32
LEU A  33
SER A  61
ILE A  62
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.6A)
None
MTX  A 605 ( 4.2A)
 0.66A 3frbX-2oipA:
21.5		 3frbX-2oipA:
18.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		7 ALA A   8
LEU A  21
LEU A  29
VAL A  32
ILE A  51
PHE A  96
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.7A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 3.9A)
MTX  A 200 ( 4.4A)
 0.76A 3frbX-2qk8A:
25.1		 3frbX-2qk8A:
46.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		7 ALA A   8
LEU A  29
VAL A  32
ILE A  51
PHE A  96
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.7A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 3.9A)
None
MTX  A 200 ( 4.4A)
 0.50A 3frbX-2qk8A:
25.1		 3frbX-2qk8A:
46.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vlc TYPE 2
RIBOSOME-INACTIVATIN
G PROTEIN CINNAMOMIN
III

(Cinnamomum
camphora) 		PF00161
(RIP)
PF00652
(Ricin_B_lectin) 		5 LEU A  23
ALA A 166
LEU A  67
VAL A  54
PHE A  19
 None
 1.12A 3frbX-2vlcA:
undetectable		 3frbX-2vlcA:
14.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 ALA A  11
ASP A  31
LEU A  32
SER A  53
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
NDP  A1169 ( 3.9A)
None
VG9  A1168 ( 4.7A)
 0.76A 3frbX-2w3wA:
22.6		 3frbX-2w3wA:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		9 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
ILE A  50
PHE A  92
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
TOP  A1160 ( 3.9A)
None
TOP  A1160 ( 4.5A)
 0.34A 3frbX-2w9sA:
30.2		 3frbX-2w9sA:
81.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x1g CADMUS

(Drosophila
melanogaster) 		PF03810
(IBN_N)
PF08389
(Xpo1) 		5 LEU F 919
ALA F 881
LEU F 901
ILE F 943
THR F 880
 None
 1.12A 3frbX-2x1gF:
undetectable		 3frbX-2x1gF:
11.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x1i 4-ALPHA-GLUCANOTRANS
FERASE

(Thermus
brockianus) 		PF02446
(Glyco_hydro_77) 		5 LEU A 377
LEU A 435
LEU A 414
ILE A 423
TYR A 381
 None
 1.10A 3frbX-2x1iA:
undetectable		 3frbX-2x1iA:
14.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ybq METHYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00590
(TP_methylase) 		5 LEU A  40
ALA A  44
LEU A  61
LEU A 101
VAL A  23
 None
 1.08A 3frbX-2ybqA:
3.8		 3frbX-2ybqA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b33 SENSOR PROTEIN

(Vibrio
parahaemolyticus) 		PF00989
(PAS) 		5 ALA A  16
LEU A  89
VAL A  91
ILE A  53
THR A  15
 None
 1.03A 3frbX-3b33A:
undetectable		 3frbX-3b33A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ca8 PROTEIN YDCF

(Escherichia
coli) 		PF02698
(DUF218) 		5 ALA A 259
LEU A 256
LEU A 209
VAL A 205
ILE A  14
 None
 1.08A 3frbX-3ca8A:
undetectable		 3frbX-3ca8A:
18.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		7 LEU A   4
ALA A   6
LEU A  19
ASP A  26
LEU A  27
SER A  48
THR A 116
 MTX  A 164 ( 4.1A)
MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.3A)
 0.65A 3frbX-3dfrA:
23.9		 3frbX-3dfrA:
34.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ALA A  16
LEU A  46
ASP A  54
SER A 111
ILE A 112
TYR A 170
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-3.0A)
RJ6  A 609 ( 3.8A)
RJ6  A 609 (-4.8A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.80A 3frbX-3dg8A:
20.2		 3frbX-3dg8A:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e05 PRECORRIN-6Y
C5,15-METHYLTRANSFER
ASE
(DECARBOXYLATING)

(Geobacter
metallireducens) 		no annotation 5 LEU A 340
ALA A 400
LEU A 348
SER A 325
ILE A 255
 None
None
None
GOL  A 413 (-4.5A)
None
 1.12A 3frbX-3e05A:
4.2		 3frbX-3e05A:
26.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fhc NUCLEAR PORE COMPLEX
PROTEIN NUP214

(Homo sapiens) 		PF12894
(ANAPC4_WD40) 		5 LEU A 144
LEU A 177
VAL A 165
SER A 173
ILE A 174
 None
 0.96A 3frbX-3fhcA:
undetectable		 3frbX-3fhcA:
15.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		10 LEU X   5
ALA X   7
LEU X  20
ASP X  27
LEU X  28
VAL X  31
ILE X  50
PHE X  92
TYR X  98
THR X 111
 N22  X 219 (-4.0A)
N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
None
N22  X 219 (-4.6A)
N22  X 219 ( 3.7A)
None
N22  X 219 (-4.4A)
 0.45A 3frbX-3i8aX:
31.0		 3frbX-3i8aX:
99.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		10 LEU X   5
ALA X   7
LEU X  20
ASP X  27
VAL X  31
SER X  49
ILE X  50
PHE X  92
TYR X  98
THR X 111
 N22  X 219 (-4.0A)
N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-2.8A)
None
N22  X 219 (-3.3A)
N22  X 219 (-4.6A)
N22  X 219 ( 3.7A)
None
N22  X 219 (-4.4A)
 0.55A 3frbX-3i8aX:
31.0		 3frbX-3i8aX:
99.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		6 ALA A   8
LEU A  29
SER A  50
ILE A  51
TYR A 102
THR A 115
 MTX  A 164 ( 3.7A)
MTX  A 164 (-4.0A)
NDP  A 163 ( 3.8A)
MTX  A 164 (-4.1A)
None
MTX  A 164 (-4.3A)
 0.50A 3frbX-3ia4A:
25.8		 3frbX-3ia4A:
40.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k44 PURINE-RICH BINDING
PROTEIN-ALPHA,
ISOFORM B

(Drosophila
melanogaster) 		PF04845
(PurA) 		5 LEU A  97
ALA A 174
LEU A  58
ILE A  83
PHE A  93
 None
 1.11A 3frbX-3k44A:
undetectable		 3frbX-3k44A:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
ASP A  37
SER A  72
ILE A  73
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
NAP  A 512 ( 4.2A)
None
None
None
 0.81A 3frbX-3kjrA:
20.6		 3frbX-3kjrA:
15.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 ASP A 704
LEU A 702
VAL A 694
PHE A 764
THR A 425
 None
 1.01A 3frbX-3la4A:
undetectable		 3frbX-3la4A:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nda SERPIN-2

(Ixodes ricinus) 		PF00079
(Serpin) 		5 LEU A 302
ALA A  46
LEU A 114
LEU A 166
ILE A 100
 None
 1.13A 3frbX-3ndaA:
undetectable		 3frbX-3ndaA:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3opb SWI5-DEPENDENT HO
EXPRESSION PROTEIN 4

(Saccharomyces
cerevisiae) 		PF11701
(UNC45-central) 		5 LEU A 356
LEU A 300
VAL A 314
ILE A 307
PHE A 334
 None
 1.05A 3frbX-3opbA:
undetectable		 3frbX-3opbA:
11.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qta CHEMOTAXIS PROTEIN
CHEC

(Haloarcula
marismortui) 		PF13690
(CheX) 		5 LEU A  90
LEU A 115
LEU A  28
VAL A  34
SER A 165
 None
 1.08A 3frbX-3qtaA:
undetectable		 3frbX-3qtaA:
21.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		7 ALA A   8
LEU A  21
ASP A  28
LEU A  29
SER A  50
ILE A  51
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 (-4.3A)
 0.53A 3frbX-3tq9A:
25.2		 3frbX-3tq9A:
38.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 LEU A  46
ASP A  54
SER A 111
TYR A 170
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
None
1CY  A 609 (-4.3A)
 0.70A 3frbX-3um6A:
20.3		 3frbX-3um6A:
14.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		6 ALA A   8
ASP A  28
SER A  56
ILE A  57
TYR A 117
THR A 133
 None
 0.91A 3frbX-3vcoA:
17.7		 3frbX-3vcoA:
29.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wmy EXTRACELLULAR
EXO-ALPHA-L-ARABINOF
URANOSIDASE

(Streptomyces
coelicolor) 		PF03664
(Glyco_hydro_62) 		5 LEU A 178
LEU A 446
VAL A 441
SER A 390
ILE A 377
 None
 0.96A 3frbX-3wmyA:
undetectable		 3frbX-3wmyA:
15.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wvo CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Thermobifida
fusca) 		PF09481
(CRISPR_Cse1) 		5 LEU A 408
LEU A 471
LEU A 333
VAL A 337
THR A 379
 None
 1.03A 3frbX-3wvoA:
undetectable		 3frbX-3wvoA:
13.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyn LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4B

(Mus musculus) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		6 LEU A 305
LEU A 324
LEU A 310
VAL A 308
ILE A 270
THR A 331
 None
 1.41A 3frbX-3zynA:
undetectable		 3frbX-3zynA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyo LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4B

(Mus musculus) 		PF00560
(LRR_1)
PF07679
(I-set)
PF13855
(LRR_8) 		6 LEU A 305
LEU A 324
LEU A 310
VAL A 308
ILE A 270
THR A 331
 None
 1.45A 3frbX-3zyoA:
undetectable		 3frbX-3zyoA:
16.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zzw TYROSINE-PROTEIN
KINASE TRANSMEMBRANE
RECEPTOR ROR2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU A 682
LEU A 565
LEU A 595
VAL A 596
PHE A 686
 None
 0.96A 3frbX-3zzwA:
undetectable		 3frbX-3zzwA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 ASP B 704
LEU B 702
VAL B 694
PHE B 764
THR B 425
 None
 1.03A 3frbX-4g7eB:
undetectable		 3frbX-4g7eB:
10.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		6 ALA X  12
LEU X  25
SER X  64
ILE X  65
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 (-4.5A)
 0.54A 3frbX-4g8zX:
20.0		 3frbX-4g8zX:
30.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4giw RUN AND SH3
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF02759
(RUN) 		5 LEU A 185
LEU A 133
LEU A  55
VAL A  51
PHE A 183
 None
 1.00A 3frbX-4giwA:
undetectable		 3frbX-4giwA:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gq2 NUCLEOPORIN NUP120

(Schizosaccharomyces
pombe) 		PF11715
(Nup160) 		5 LEU M 423
VAL M 470
SER M 432
ILE M 433
PHE M 427
 None
 1.09A 3frbX-4gq2M:
undetectable		 3frbX-4gq2M:
10.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		5 ALA A  11
SER A  61
ILE A  62
TYR A 118
THR A 133
 14Q  A 202 ( 3.7A)
14Q  A 202 (-3.9A)
14Q  A 202 ( 4.8A)
None
14Q  A 202 ( 4.6A)
 0.96A 3frbX-4h96A:
18.0		 3frbX-4h96A:
31.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		6 ALA A  11
LEU A  25
SER A  61
ILE A  62
TYR A 127
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.2A)
None
14Q  A 302 (-4.2A)
 0.58A 3frbX-4h98A:
19.3		 3frbX-4h98A:
31.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 14

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M) 		5 LEU N 423
LEU N 290
VAL N 419
SER N 332
PHE N 283
 None
 1.11A 3frbX-4heaN:
undetectable		 3frbX-4heaN:
14.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iqr HEPATOCYTE NUCLEAR
FACTOR 4-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 LEU A 211
ALA A 209
LEU A 293
LEU A 202
PHE A 285
 None
 1.04A 3frbX-4iqrA:
undetectable		 3frbX-4iqrA:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jbu VIRULENCE-ASSOCIATED
V ANTIGEN

(Yersinia pestis) 		PF04792
(LcrV) 		5 LEU A 253
LEU A 280
VAL A 284
SER A 235
ILE A 236
 None
 1.09A 3frbX-4jbuA:
undetectable		 3frbX-4jbuA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l8l 3-DEHYDROQUINATE
DEHYDRATASE 1

(Pseudomonas
aeruginosa) 		PF01220
(DHquinase_II) 		5 LEU A  12
LEU A 102
VAL A 100
ILE A  31
THR A  80
 None
 1.13A 3frbX-4l8lA:
2.3		 3frbX-4l8lA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lxr PROTEIN TOLL

(Drosophila
melanogaster) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 LEU A 440
LEU A 480
ILE A 429
PHE A 434
THR A 477
 None
 1.09A 3frbX-4lxrA:
undetectable		 3frbX-4lxrA:
11.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.4A)
 0.22A 3frbX-4m7vA:
25.5		 3frbX-4m7vA:
42.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o8o ALPHA-L-ARABINOFURAN
OSIDASE

(Streptomyces
thermoviolaceus) 		PF03664
(Glyco_hydro_62) 		5 LEU A  64
LEU A 334
VAL A 329
SER A 278
ILE A 264
 None
 0.96A 3frbX-4o8oA:
undetectable		 3frbX-4o8oA:
17.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		6 ALA A   7
ASP A  27
SER A  49
ILE A  50
TYR A 100
THR A 113
 MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 3.7A)
MTX  A 201 (-4.7A)
None
MTX  A 201 ( 4.5A)
 0.52A 3frbX-4p68A:
25.8		 3frbX-4p68A:
36.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q2n INAD-LIKE PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A 441
LEU A 376
LEU A 447
VAL A 421
ILE A 380
 None
 0.93A 3frbX-4q2nA:
undetectable		 3frbX-4q2nA:
24.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w9r UNCHARACTERIZED
PROTEIN

(Capnocytophaga
ochracea) 		PF00756
(Esterase) 		5 LEU A 316
LEU A 294
VAL A 297
ILE A 364
PHE A 334
 None
 1.02A 3frbX-4w9rA:
undetectable		 3frbX-4w9rA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aao FAD3210

(synthetic
construct) 		PF12796
(Ank_2)
PF13637
(Ank_4) 		5 LEU A  60
ALA A  55
LEU A  51
VAL A  98
THR A  87
 None
 1.09A 3frbX-5aaoA:
undetectable		 3frbX-5aaoA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5abj VP3

(Enterovirus A) 		PF00073
(Rhv) 		5 LEU C  53
ALA C  88
LEU C 167
VAL C 117
ILE C 196
 None
 1.10A 3frbX-5abjC:
undetectable		 3frbX-5abjC:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fav CHOLINE
TRIMETHYLAMINE-LYASE

(Desulfovibrio
alaskensis) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 LEU A  65
ASP A 365
LEU A 366
ILE A 298
THR A  59
 None
 1.04A 3frbX-5favA:
undetectable		 3frbX-5favA:
12.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		5 ALA A   8
SER A  50
ILE A  51
TYR A 101
THR A 114
 None
 0.62A 3frbX-5fdaA:
17.6		 3frbX-5fdaA:
38.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fmf RNA POLYMERASE II
PRE-INITIATION
COMPLEX, TFG1
TRANSCRIPTION
INITIATION FACTOR
IIF SUBUNIT BETA,
TFG2

(Saccharomyces
cerevisiae) 		PF02270
(TFIIF_beta)
PF05793
(TFIIF_alpha) 		5 LEU V  61
LEU U 119
VAL U 137
ILE U 127
THR V 212
 None
 1.05A 3frbX-5fmfV:
undetectable		 3frbX-5fmfV:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gle ISCHORISMATE LYASE

(Vibrio
anguillarum) 		no annotation 5 ALA A 176
LEU A  43
LEU A  57
VAL A  60
ILE A 105
 None
 0.83A 3frbX-5gleA:
undetectable		 3frbX-5gleA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iaa UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME 5

(Homo sapiens) 		PF00899
(ThiF) 		5 LEU A 135
LEU A 102
VAL A  81
PHE A 118
THR A  88
 None
 1.11A 3frbX-5iaaA:
undetectable		 3frbX-5iaaA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN12
26S PROTEASOME
REGULATORY SUBUNIT
RPN3

(Saccharomyces
cerevisiae) 		PF01399
(PCI)
PF08375
(Rpn3_C)
PF10075
(CSN8_PSD8_EIF3K) 		5 LEU T 208
LEU T 200
VAL T 233
SER S 424
THR T 217
 None
 1.12A 3frbX-5mpdT:
undetectable		 3frbX-5mpdT:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o4g RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2

(Homo sapiens) 		no annotation 5 LEU C 423
ALA C 444
LEU C 439
LEU C 436
ILE C 384
 None
 1.09A 3frbX-5o4gC:
undetectable		 3frbX-5o4gC:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
LEU A  23
ASP A  31
SER A  86
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
None
73X  A 704 (-2.8A)
NDP  A 702 (-3.8A)
None
73X  A 704 (-4.2A)
 0.80A 3frbX-5t0lA:
20.7		 3frbX-5t0lA:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t81 EPOB

(Sorangium
cellulosum) 		PF00668
(Condensation) 		5 LEU A 430
LEU A 198
VAL A 184
ILE A 213
PHE A 115
 None
 1.00A 3frbX-5t81A:
undetectable		 3frbX-5t81A:
13.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5veo ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5

(Mus musculus) 		PF01663
(Phosphodiest) 		5 ALA A  92
ASP A 265
VAL A 269
ILE A 301
PHE A  68
 None
 0.95A 3frbX-5veoA:
undetectable		 3frbX-5veoA:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S) 		5 LEU A 227
LEU A 358
VAL A 361
ILE A 257
THR A 210
 None
 1.02A 3frbX-5xfaA:
undetectable		 3frbX-5xfaA:
13.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y9q CARBON CATABOLITE
RESPONSIVE REGULATOR

(Staphylococcus
aureus) 		PF03466
(LysR_substrate) 		5 LEU A 188
LEU A  67
LEU A  15
VAL A  19
PHE A 185
 None
 0.79A 3frbX-5y9qA:
undetectable		 3frbX-5y9qA:
24.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ywp JEV E PROTEIN

(Japanese
encephalitis
virus) 		no annotation 5 LEU A 180
ALA A 165
LEU A 188
VAL A 186
ILE A  33
 None
 1.10A 3frbX-5ywpA:
undetectable		 3frbX-5ywpA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z7h LYSR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Staphylococcus
aureus) 		no annotation 5 LEU A 278
LEU A 157
LEU A 105
VAL A 109
PHE A 275
 None
 0.79A 3frbX-5z7hA:
undetectable		 3frbX-5z7hA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6azt ASPARAGINYL
ENDOPEPTIDASE 1

(Helianthus
annuus) 		no annotation 5 LEU A 149
LEU A 173
LEU A 197
VAL A 200
ILE A 236
 None
 1.11A 3frbX-6aztA:
undetectable		 3frbX-6aztA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c4m YERSINOPINE
DEHYDROGENASE

(Yersinia pestis) 		no annotation 5 LEU C 119
LEU C 114
LEU C 134
VAL C 130
ILE C 106
 None
 1.09A 3frbX-6c4mC:
undetectable		 3frbX-6c4mC:
16.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 5 ALA A   8
ASP A  28
SER A  50
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 (-4.4A)
 0.71A 3frbX-6cxmA:
21.9		 3frbX-6cxmA:
33.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6e4e -

(-) 		no annotation 9 LEU A   5
ALA A   7
LEU A  20
ASP A  27
LEU A  28
VAL A  31
ILE A  50
PHE A  92
THR A 111
 MMV  A 202 (-4.2A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.34A 3frbX-6e4eA:
31.1		 3frbX-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6e4e -

(-) 		no annotation 9 LEU A   5
ALA A   7
LEU A  20
ASP A  27
VAL A  31
SER A  49
ILE A  50
PHE A  92
THR A 111
 MMV  A 202 (-4.2A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.9A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.50A 3frbX-6e4eA:
31.1		 3frbX-6e4eA:
undetectable